BDBM14333 2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate::CA-09::CRA-10818
SMILES: NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1[O-]
InChI Key: InChIKey=QXRGLPOCPFPVHS-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Trypsin (Bos taurus (bovine)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 230 | -8.96 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6.40E+3 | -7.01 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | -6.75 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase (uPA) Mutant (S190A) (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 344: 527-47 (2004) Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14333 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair |